C046-0365 Screening compound: N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide

C046-0365 Screening compound: N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide
C046-0365 Screening compound: N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C046-0365
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C046-0365

Molecular Formula

C24H27N5O3 (C24 H27 N5 O3)

Compound Name

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide

IUPAC name

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-oxo-34-dihydroquinazolin-3-yl)acetamide

SMILES

O=C(CN(C=Nc1c2cccc1)C2=O)NCCC(N1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C24H27N5O3/c30-22(17-29-18-26-21-9-5-4-8-20(21)24(29)32)25-11-10-23(31)28-14-12-27(13-15-28)16-19-6-2-1-3-7-19/h1-9,18H,10-17H2,(H,25,30)

InChI Key

PCAHRELPOFHGEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.037

Distribution Coefficient, logD

0.005

Water Solubility, LogSw

-2.29

Polar Surface Area

70.585

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C046-0365 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C046-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C046-0365?
Check Price and Availability of C046-0365, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C046-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C046-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C046-0365
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C046-0365 available by request